Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 11/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3663467 | 0.87 | F10 (0.39) | HCRTR1HCRTR2DRD4 | |
| SCHEMBL3661663 | 0.82 | GSK3B (0.42) | HCRTR1HCRTR2CYP2D6GSK3B | |
| SCHEMBL3668510 | 0.81 | DRD4 (0.45) | CYP2D6DRD2DRD4 | |
| SCHEMBL2065165 | 0.79 | TSHR (0.42) | HCRTR1HCRTR2CYP2D6GSK3BMEN1 | |
| SCHEMBL3667749 | 0.79 | HPGD (0.40) | HCRTR1HCRTR2GSK3BKMT2A | |
| SCHEMBL3666807 | 0.78 | GSK3B (0.38) | CYP2D6GSK3BDRD4 | |
| SCHEMBL3661520 | 0.78 | GSK3B (0.39) | CYP2D6GSK3BMEN1KMT2A | |
| SCHEMBL2065553 | 0.77 | KMT2A (0.43) | CYP2D6GSK3BMEN1KMT2ADRD2 | |
| SCHEMBL2066338 | 0.77 | KCNMA1 (0.46) | MEN1KMT2ADRD2 | |
| SCHEMBL3660413 | 0.77 | KCNMA1 (0.41) | HCRTR1HCRTR2GSK3BDRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2238141-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009095789-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |